[({[3-Chloro-4-(1H-Tetrazol-5-Yl)Phenyl]Sulfonyl}Amino)Methyl]Boronic Acid

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Properties Simple | Detailed

Formula C8H9BClN5O4S
IUPAC Name [[3-chloro-4-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfonylamino]methylboronic acid
Molecular Mass 317.517 g·mol−1
Heat of Formation -554.4 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 319.65 Å 3
Surface Area 292.6 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
InChIKey PFJLILKXTJECEF-UHFFFAOYSA-N
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Elements C B Cl H O N S